# data_comp_list loop_ _chem_comp.id _chem_comp.three_letter_code _chem_comp.name _chem_comp.group _chem_comp.number_atoms_all _chem_comp.number_atoms_nh _chem_comp.desc_level MA1 MA1 '1,4-DITHIO-ALPHA-D-MANNOSE ' non-polymer 24 12 M # data_comp_MA1 # loop_ _chem_comp_atom.comp_id _chem_comp_atom.atom_id _chem_comp_atom.type_symbol _chem_comp_atom.type_energy _chem_comp_atom.partial_charge MA1 C1 C . 0.000 MA1 C2 C . 0.000 MA1 C3 C . 0.000 MA1 C4 C . 0.000 MA1 C5 C . 0.000 MA1 C6 C . 0.000 MA1 S1 S . 0.000 MA1 O2 O . 0.000 MA1 O3 O . 0.000 MA1 S4 S . 0.000 MA1 O5 O . 0.000 MA1 O6 O . 0.000 MA1 H1 H . 0.000 MA1 H2 H . 0.000 MA1 H3 H . 0.000 MA1 H4 H . 0.000 MA1 H5 H . 0.000 MA1 H61 H . 0.000 MA1 H62 H . 0.000 MA1 HS1 H . 0.000 MA1 HO2 H . 0.000 MA1 HO3 H . 0.000 MA1 HS4 H . 0.000 MA1 HO6 H . 0.000 loop_ _chem_comp_bond.comp_id _chem_comp_bond.atom_id_1 _chem_comp_bond.atom_id_2 _chem_comp_bond.type MA1 C1 C2 single MA1 C1 S1 single MA1 C1 O5 single MA1 C1 H1 single MA1 C2 C3 single MA1 C2 O2 single MA1 C2 H2 single MA1 C3 C4 single MA1 C3 O3 single MA1 C3 H3 single MA1 C4 C5 single MA1 C4 S4 single MA1 C4 H4 single MA1 C5 C6 single MA1 C5 O5 single MA1 C5 H5 single MA1 C6 O6 single MA1 C6 H61 single MA1 C6 H62 single MA1 S1 HS1 single MA1 O2 HO2 single MA1 O3 HO3 single MA1 S4 HS4 single MA1 O6 HO6 single